ESPResSo 3.1: Molecular Dynamics Software for Coarse-Grained Models

DOI10.1007/978-3-642-32979-1_1zbMath1269.82007OpenAlexW2175425402MaRDI QIDQ2838312

Olaf Lenz, Florian Fahrenberger, Axel Arnold, Peter Košovan, Christian Holm, Dominic Roehm, Stefan Kesselheim, Rudolf Weeber

Publication date: 9 July 2013

Published in: Meshfree Methods for Partial Differential Equations VI (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/978-3-642-32979-1_1

zbMATH Keywords

molecular dynamicsLattice-Boltzmanncoarse-grainingextensible simulation package for research on soft matter systems

Mathematics Subject Classification ID

Related Items (9)

Waterlike features, liquid-crystal phase and self-assembly in Janus dumbbells ⋮ Dissipative coupling of fluid and immersed objects for modelling of cells in flow ⋮ Distinct aggregation patterns and fluid porous phase in a 2D model for colloids with competitive interactions ⋮ On the bending algorithms for soft objects in flows ⋮ Langevin dynamics simulation with dipole-dipole interactions: massive performance improvements and advanced analytical integrator ⋮ Accelerating the calculation of dipolar interactions in particle based simulations with open boundary conditions by means of the P\(^{2}\)NFFT method ⋮ Rayleigh–Plateau instability of anisotropic interfaces. Part 1. An analytical and numerical study of fluid interfaces ⋮ An \(\mathsf {ESPResSo}\) ~implementation of elastic objects immersed in a fluid ⋮ Analytical and computational study of cascade reaction processes in catalytic fibrous membranes

Uses Software

• NAMD
• CUDA
• Gromacs
• ESPResSo
• AdResS
• MMM2D
• VMD

Cites Work

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• Applying \(\text{ICC}^{\star}\) to DNA translocation: Effect of dielectric boundaries
• A reference implementation of the adaptive resolution scheme in \texttt{ESPResSo}
• Boundary conditions for lattice Boltzmann simulations
• Lattice-gas cellular automata and lattice Boltzmann models. An introduction

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